SCHEMBL3784634

SCHEMBL3784634

CC(=O)c1cc(N)cc(-c2ccc(N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B1 P14061 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5A P35218 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3787106 0.87 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1RXRARXRB
SCHEMBL2557572 0.84 MAPT (0.53) MAPTNPC1RAB9AHSD17B1SMN1; SMN2
SCHEMBL3786549 0.82 DHODH (0.55) MKNK1MKNK2CYP3A4TDP1ALDH1A1
SCHEMBL3793183 0.81 MAOA (0.48) MAPTNPC1SMN1; SMN2MKNK2CYP3A4
Benzidine SCHEMBL9390356 0.81 MAPT (0.67) MAPTNPC1RAB9AHSD17B1SMN1; SMN2
SCHEMBL3790067 0.81 MAPT (0.67) MAPTNPC1RAB9AHSD17B1SMN1; SMN2
SCHEMBL3786461 0.79 HDAC2 (0.56) MAPTSMN1; SMN2MKNK2HDAC2CREBBP
SCHEMBL1976289 0.79 CA5A (0.52) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL2628599 0.79 CA5A (0.52) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL3786916 0.75 BRD4 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885NPC1 724/4885RAB9A 1357/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.